pychembldb 0.1

ChEMBLdb interface for Python

pychembldb is a Python interface for ChEMBLdb

Requirements

• Python 2.7 or later (not support 3.x)

• MySQL-python >= 1.2.4

• SQLAlchemy >= 0.8.0b2

Setup

Install

git clone https://github.com/kzfm/pychembldb.git
cd pychembldb
sudo python setup.py install

Setting up engine_url

if you change engine_url, you should set CHEMBL_URI environment variable (default:mysql://root@localhost/chembl_14)

Basic Usage

from pychembldb import *
for target in chembldb.query(Target).filter_by(pref_name="Tyrosine-protein kinase ABL"):
    for assay in target.assays:
        for activity in assay.activities:
            print activity.published_value, activity.molecule.structure.standard_inchi_key

History

0.1 (2013-01-29)

• first release